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ChemSpider 2D Image | 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 6-O-(2-O-acetyl-alpha-L-arabinopyranosyl)-beta-D-galactopyranoside | C28H30O16

5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 6-O-(2-O-acetyl-α-L-arabinopyranosyl)-β-D-galactopyranoside

  • Molecular FormulaC28H30O16
  • Average mass622.528 Da
  • Monoisotopic mass622.153381 Da
  • ChemSpider ID10290051

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

Date of deprecation: 11:06, Feb 21, 2014
Reason for deprecation: Deprecate record: there are no supporting data sources.

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4H-1-Benzopyran-4-one, 3-[[6-O-(2-O-acetyl-α-L-arabinopyranosyl)-β-D-galactopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)- [ACD/Index Name]
5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 6-O-(2-O-acetyl-α-L-arabinopyranosyl)-β-D-galactopyranoside [ACD/IUPAC Name]
5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl-6-O-(2-O-acetyl-α-L-arabinopyranosyl)-β-D-galactopyranosid [German] [ACD/IUPAC Name]
6-O-(2-O-Acétyl-α-L-arabinopyranosyl)-β-D-galactopyranoside de 5,7-dihydroxy-2-(4-hydroxyphényl)-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
missing

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.0 g/cm3
Boiling Point: 929.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 141.6±0.0 kJ/mol
Flash Point: 305.7±0.0 °C
Index of Refraction: 1.721
Molar Refractivity: 141.6±0.0 cm3
#H bond acceptors: 16
#H bond donors: 8
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 1.55
ACD/LogD (pH 5.5): 1.47
ACD/BCF (pH 5.5): 7.44
ACD/KOC (pH 5.5): 138.80
ACD/LogD (pH 7.4): 0.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.30
Polar Surface Area: 251 Å2
Polarizability: 56.1±0.0 10-24cm3
Surface Tension: 107.3±0.0 dyne/cm
Molar Volume: 358.3±0.0 cm3

Click to predict properties on the Chemicalize site


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